2,16-Dibromo-9,23-bis(2-decyltetradecyl)-9,23-diazaheptacyclo[15.11.0.03,15.05,13.07,11.019,27.021,25]octacosa-1,3(15),4,6,11,13,16,18,20,25,27-undecaene-8,10,22,24-tetrone | 1266676-34-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 并五苯
• 英文名称: 2,16-Dibromo-9,23-bis(2-decyltetradecyl)-9,23-diazaheptacyclo[15.11.0.03,15.05,13.07,11.019,27.021,25]octacosa-1,3(15),4,6,11,13,16,18,20,25,27-undecaene-8,10,22,24-tetrone
• 英文别名: 2,16-dibromo-9,23-bis(2-decyltetradecyl)-9,23-diazaheptacyclo[15.11.0.03,15.05,13.07,11.019,27.021,25]octacosa-1,3(15),4,6,11,13,16,18,20,25,27-undecaene-8,10,22,24-tetrone
• CAS: 1266676-34-9
• 化学式: C₇₄H₁₀₆Br₂N₂O₄
• 分子量: 1247.47
• InChiKey: RRMMDNDUQVHLBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  29.8
• 重原子数：
  82
• 可旋转键数：
  44
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  74.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,16-Dibromo-9,23-bis(2-decyltetradecyl)-9,23-diazaheptacyclo[15.11.0.03,15.05,13.07,11.019,27.021,25]octacosa-1,3(15),4,6,11,13,16,18,20,25,27-undecaene-8,10,22,24-tetrone 、 4-二甲基氨基苯乙炔 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 以100%的产率得到9,23-Bis(2-decyltetradecyl)-2,16-bis[2-[4-(dimethylamino)phenyl]ethynyl]-9,23-diazaheptacyclo[15.11.0.03,15.05,13.07,11.019,27.021,25]octacosa-1,3(15),4,6,11,13,16,18,20,25,27-undecaene-8,10,22,24-tetrone
  参考文献：
  名称：

  6,13-Dibromopentacene [2,3:9,10]-Bis(dicarboximide): A Versatile Building Block for Stable Pentacene Derivatives

  摘要：

  6,13-Dibromopentacene [2,3:9,10]-bis(dicarboximide) (1) was synthesized for the first time by using in situ generated benzo[1,2-c:4,5-c']difuran as a key intermediate. Compound 1 exhibits good photostability in comparison to other pentacene derivatives and it can be further functionalized by Pd-catalyzed coupling reactions to give a series of soluble and stable functional pentacenes.

  DOI：

  10.1021/ol102971a
• 作为产物：
  描述：

  10,24-Bis(2-decyltetradecyl)-29,30-dioxa-10,24-diazanonacyclo[17.9.1.15,15.02,18.04,16.06,14.08,12.020,28.022,26]triaconta-2(18),3,16-triene-9,11,23,25-tetrone 在 N-溴代丁二酰亚胺(NBS) 、 三氟甲磺酸三甲基硅酯 、 溴 、 三乙胺 、 过氧化苯甲酰 作用下， 以 四氯化碳 、 氯仿 为溶剂， 反应 36.0h， 生成 2,16-Dibromo-9,23-bis(2-decyltetradecyl)-9,23-diazaheptacyclo[15.11.0.03,15.05,13.07,11.019,27.021,25]octacosa-1,3(15),4,6,11,13,16,18,20,25,27-undecaene-8,10,22,24-tetrone
  参考文献：
  名称：

  6,13-Dibromopentacene [2,3:9,10]-Bis(dicarboximide): A Versatile Building Block for Stable Pentacene Derivatives

  摘要：

  6,13-Dibromopentacene [2,3:9,10]-bis(dicarboximide) (1) was synthesized for the first time by using in situ generated benzo[1,2-c:4,5-c']difuran as a key intermediate. Compound 1 exhibits good photostability in comparison to other pentacene derivatives and it can be further functionalized by Pd-catalyzed coupling reactions to give a series of soluble and stable functional pentacenes.

  DOI：

  10.1021/ol102971a